SCHEMBL909198

SCHEMBL909198

CCOC(=O)Cc1ccccc1OC(F)F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.48
▸ PKM P14618 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP4F2 P78329 2/20 0.44
▸ CYP4A11 Q02928 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TNF P01375 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7888801 0.86 TBXAS1 (0.49) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL23229153 0.85 TBXAS1 (0.48) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL22994473 0.84 HPGD (0.45) L3MBTL1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL23241478 0.84 TBXAS1 (0.47) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL23425588 0.84 TBXAS1 (0.47) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL23229004 0.84 TBXAS1 (0.47) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL23617253 0.84 TBXAS1 (0.47) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL21455709 0.82 TBXAS1 (0.46) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL23616962 0.81 TBXAS1 (0.46) TBXAS1PKML3MBTL1CYP4F2CYP4A11
SCHEMBL1792326 0.81 TSHR (0.55) TBXAS1PKML3MBTL1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 — — US disclosed
EP-2181992-B1 POLYCYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2013-05-01 — — EP disclosed
EP-2559693-A1 Polycyclic compound Eisai R&D Management Co., Ltd. (JP) 2013-02-20 — — EP disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 — — US disclosed
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 — — US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 — — US disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 — — EP disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 TBXAS1 375/4885PKM 4734/4885L3MBTL1 2343/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 TBXAS1 223/4885PKM 4373/4885L3MBTL1 1889/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 TBXAS1 265/4885PKM 4786/4885L3MBTL1 2006/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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